N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide

C12H15BrFNO2S — CID 106367483

IUPACN-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1cccc(F)c1
InChIInChI=1S/C12H15BrFNO2S/c13-8-9-3-1-6-12(9)15-18(16,17)11-5-2-4-10(14)7-11/h2,4-5,7,9,12,15H,1,3,6,8H2
InChIKeyJQUONQILIMPDIX-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide

N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide (PubChem CID 106367483) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
PubChem CID106367483
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1cccc(F)c1
InChIInChI=1S/C12H15BrFNO2S/c13-8-9-3-1-6-12(9)15-18(16,17)11-5-2-4-10(14)7-11/h2,4-5,7,9,12,15H,1,3,6,8H2
InChIKeyJQUONQILIMPDIX-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
CID 110127873
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-bromo-N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179808
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-[2-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide (CID 106367483) is N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide is O=S(=O)(NC1CCCC1CBr)c1cccc(F)c1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide?
The InChIKey is JQUONQILIMPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c13-8-9-3-1-6-12(9)15-18(16,17)11-5-2-4-10(14)7-11/h2,4-5,7,9,12,15H,1,3,6,8H2.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide?
N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106367483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).